RINGEFF

Effective Interactions and correlations of ring polymers

Coordinatore	UNIVERSITAT WIEN    more  Organization address address: UNIVERSITATSRING 1 city: WIEN postcode: 1010 contact info Titolo: Mr. Nome: Maximilian Cognome: Kudler Email: send email Telefono: +43 1 4277 18210 Fax: +43 14277 9182
Nazionalità Coordinatore	Austria [AT]
Totale costo	161˙563 €
EC contributo	161˙563 €
Programma	FP7-PEOPLE Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
Code Call	FP7-PEOPLE-IEF-2008
Funding Scheme	MC-IEF
Anno di inizio	2009
Periodo (anno-mese-giorno)	2009-06-01   -   2011-05-31

 Partecipanti

#	participant	country	role	EC contrib. [€]
1	UNIVERSITAT WIEN  Organization address address: UNIVERSITATSRING 1 city: WIEN postcode: 1010 contact info Titolo: Mr. Nome: Maximilian Cognome: Kudler Email: send email Telefono: +43 1 4277 18210 Fax: +43 14277 9182	AT (WIEN)	coordinator	161˙563.92
2	HEINRICH-HEINE-UNIVERSITAET DUESSELDORF  Organization address address: UNIVERSITAETSSTRASSE 1 city: DUSSELDORF postcode: 40225 contact info Titolo: Ms. Nome: Katharina Cognome: Kaemmerer Email: send email Telefono: -8115578 Fax: +49 211 8112422	DE (DUSSELDORF)	participant	0.00

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 Obiettivo del progetto (Objective)

'Understanding the Physics of modern materials on a fundamental level is a key ingredient in the quest to develop novel materials with desired, tailored properties. In this sense, polymers, are in enormous interest nowadays, due to their numerous applications in biology and industry. The development of experimental techniques, such as atomic force microscopy (AFM) and optical tweezers, allow us to manipulate the topology of macromolecules, including the most common biological polymer, DNA. Topological constraints on the polymers are an universal feature that can influence the properties of individual macromolecules and solutions of the same. Their analytical consideration is hindered, i.a., by the difficulty to include topological constraints in the Hamiltonian. Computer simulations offer an alternative. Previous work has focused, mainly, in knotting probabilities with lattice models in three and two dimensional models. We propose the approach of performing computer simulations in the continuum, to investigate the structural properties of ring polymer solutions with topological constraints and predict the correlations, structure and thermodynamics of the system. To accomplish this project, we will develop suitable coarse-grained techniques and advanced programming to sample the properties of ring polymer solutions in ways that respect the topological constraints. Further, we propose a novel development of the blob technique for topological constraints in dilute and semidilute solutions. The goals of the proposal is, on the one hand, to calculate accurate effective interaction potentials acting between suitably chosen coarse-grained degrees of freedom of the rings, greatly facilitating thereby their study, and to study the effects of knots on the quantitative characteristics of the effective potential and thus on the structure and thermodynamics.'